Vitas-M small molecule compound
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide
Catalog ID
STL545660
SMILES O=C(Cn1nc(ccc1=O)n1nc(cc1C)C)NC[C@@H]1CCCN2[C@@H]1CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H30N6O2 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N6O2/c1-15-12-16(2)27(23-15)19-8-9-21(29)26(24-19)14-20(28)22-13-17-6-5-11-25-10-4-3-7-18(17)25/h8-9,12,17-18H,3-7,10-11,13-14H2,1-2H3,(H,22,28)/t17-,18+/m0/s1InChIKey
GOISJCOEMNUZKO-ZWKOTPCHSA-NSynonyms
~(N)(((1~(S)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methyl)2(3(35dimethylpyrazol1yl)6oxopyridazin1yl)acetamide
2(3(35dimethyl1Hpyrazol1yl)6oxopyridazin1(6H)yl)N(((1S9aR)octahydro1Hquinolizin1yl)methyl)acetamide
2(3(35dimethyl1Hpyrazol1yl)6oxopyridazin1(6H)yl)N((1S9aR)octahydro2Hquinolizin1ylmethyl)acetamide
99991494
InChI=1SC21H30N6O2c1151216(2)27(2315)198921(29)26(2419)1420(28)2213176511251043718(17)25h89121718H3710111314H212H3(H2228)t1718+m0s1
O=C(Cn1nc(ccc1=O)n1nc(cc1C)C)NC(C@H)1CCCN2(C@@H)1CCCC2
ZINC000217777710
ZINC217777710
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